N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide

C16H20N2O2 — CID 126426400

IUPACN-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCC1=NO[C@@H](CNC(=O)C2Cc3ccccc3C2)C1
InChIInChI=1S/C16H20N2O2/c1-2-14-9-15(20-18-14)10-17-16(19)13-7-11-5-3-4-6-12(11)8-13/h3-6,13,15H,2,7-10H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyWNHRFIJJRBVVKK-OAHLLOKOSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds4

About N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 126426400) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID126426400
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCC1=NO[C@@H](CNC(=O)C2Cc3ccccc3C2)C1
InChIInChI=1S/C16H20N2O2/c1-2-14-9-15(20-18-14)10-17-16(19)13-7-11-5-3-4-6-12(11)8-13/h3-6,13,15H,2,7-10H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyWNHRFIJJRBVVKK-OAHLLOKOSA-N
XLogP2.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 126426400) is N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide is CCC1=NO[C@@H](CNC(=O)C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is WNHRFIJJRBVVKK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-14-9-15(20-18-14)10-17-16(19)13-7-11-5-3-4-6-12(11)8-13/h3-6,13,15H,2,7-10H2,1H3,(H,17,19)/t15-/m1/s1.
What are the key properties of N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 126426400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).